Chemical Properties of (3aR,6R,8aR)-7,7-Dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one (CAS 30557-76-7)

(3aR,6R,8aR)-7,7-Dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one

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InChI
InChI=1S/C14H20O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-11H,1,4-8H2,2-3H3/t10?,11-,14-/m0/s1
InChI Key
BDHSOIIDXCBNPA-UCOFZHQHSA-N
Formula
C14H20O
SMILES
C=C1C2CCC(=O)C23CCC(C3)C1(C)C
Molecular Weight1
204.31
CAS
30557-76-7
Other Names
  • Khusimone
  • 12-nor-Zizaen-2-one
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Physical Properties

Property Value Unit Source
Δf 136.85 kJ/mol Joback Calculated Property
Δfgas -169.53 kJ/mol Joback Calculated Property
Δfus 9.05 kJ/mol Joback Calculated Property
Δvap 48.64 kJ/mol Joback Calculated Property
log10WS -3.53 Crippen Calculated Property
logPoct/wat 3.348 Crippen Calculated Property
McVol 172.810 ml/mol McGowan Calculated Property
Pc 2472.73 kPa Joback Calculated Property
Inp [1604.00; 1605.00]   Show Hide
Inp 1605.00 NIST
Inp 1604.00 NIST
Inp 1605.00 NIST
Inp 1605.00 NIST
Inp 1604.00 NIST
Tboil 611.27 K Joback Calculated Property
Tc 853.73 K Joback Calculated Property
Tfus 419.78 K Joback Calculated Property
Vc 0.660 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [487.80; 601.83] J/mol×K [611.27; 853.73] Show Hide
Cp,gas 487.80 J/mol×K 611.27 Joback Calculated Property
Cp,gas 508.81 J/mol×K 651.68 Joback Calculated Property
Cp,gas 528.58 J/mol×K 692.09 Joback Calculated Property
Cp,gas 547.44 J/mol×K 732.50 Joback Calculated Property
Cp,gas 565.72 J/mol×K 772.91 Joback Calculated Property
Cp,gas 583.74 J/mol×K 813.32 Joback Calculated Property
Cp,gas 601.83 J/mol×K 853.73 Joback Calculated Property

Similar Compounds

Khusimone. 12-nor-Preziza-7(15)-en-2-one. 6-Camphenone. Ziza-6(13)-en-3-one. 2-epi-Ziza-6(13)-en-3-one. (3S,3aR,6R,8aS)-3,7,7-Trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one. cis-Eudesm-4(15)-en-1-one. Camphenone, 6-. (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carbaldehyde. Lup-20(29)-en-3-one. Salvialenone. Salvial-4(14)-ene-1-one. Salvial-4(14)-en-1-one. 4(14)-Salvialen-1-one. Mint ketone.

Find more compounds similar to (3aR,6R,8aR)-7,7-Dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one.

Sources

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